7ZEG
Human cytosolic 5' nucleotidase IIIB in complex with 3,4-diF-Bn7GMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.755, 79.135, 94.388 |
| Unit cell angles | 90.00, 93.23, 90.00 |
Refinement procedure
| Resolution | 40.690 - 1.560 |
| R-factor | 0.2409 |
| Rwork | 0.240 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bdu |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.636 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.690 | 1.612 |
| High resolution limit [Å] | 1.556 | 1.556 |
| Rmerge | 0.091 | |
| Rmeas | 0.098 | |
| Rpim | 0.038 | |
| Number of reflections | 85124 | 8109 |
| <I/σ(I)> | 10.66 | 0.68 |
| Completeness [%] | 99.2 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.999 | 0.439 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.2 | 277.15 | 22% PEG 3350, 0.1M MES pH 6.2 |
